Cas no 62584-75-2 (Benzonitrile, 4-[3-(4-bromophenyl)-3-oxopropyl]-)
![Benzonitrile, 4-[3-(4-bromophenyl)-3-oxopropyl]- structure](https://ossimg.kuujia.com/scimg/63000/62584-75-2x500.png)
62584-75-2 structure
Product Name:Benzonitrile, 4-[3-(4-bromophenyl)-3-oxopropyl]-
CAS No:62584-75-2
MF:C16H12BrNO
MW:314.1765832901
CID:439130
PubChem ID:2443016
Update Time:2025-04-19
Benzonitrile, 4-[3-(4-bromophenyl)-3-oxopropyl]- Chemical and Physical Properties
Names and Identifiers
-
- Benzonitrile, 4-[3-(4-bromophenyl)-3-oxopropyl]-
- 4-[3-(4-bromophenyl)-3-oxopropyl]benzonitrile
- AKOS001047320
- DTXSID80368690
- Z56952996
- 62584-75-2
-
- Inchi： 1S/C16H12BrNO/c17-15-8-6-14(7-9-15)16(19)10-5-12-1-3-13(11-18)4-2-12/h1-4,6-9H,5,10H2
- InChI Key： GPXLIRUZRSRSNU-UHFFFAOYSA-N
- SMILES： BrC1C=CC(=CC=1)C(CCC1C=CC(C#N)=CC=1)=O
Computed Properties
- Exact Mass: 313.01026
- Monoisotopic Mass: 313.01023g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 19
- Rotatable Bond Count: 4
- Complexity: 343
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.9
- Topological Polar Surface Area: 40.9?2
Experimental Properties
- PSA: 40.86
Benzonitrile, 4-[3-(4-bromophenyl)-3-oxopropyl]- Related Literature
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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3. An integrated microfluidic 3D tumor system for parallel and high-throughput chemotherapy evaluation?Dan Liu,Rui Hu,Zhongchao Huang,Meilin Sun,Kai Han Analyst, 2020,145, 6447-6455
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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